SCHEMBL30577232

SCHEMBL30577232

N=C1c2ccccc2CN1c1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.37
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17608737 1.00 POLB (0.54) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL21494543 0.91 POLB (0.49) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL21494512 0.84 POLB (0.56) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL21494552 0.79 POLB (0.56) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL28487426 0.79 NPC1 (0.39) POLBLMNAMAPTHTTKMT2A
SCHEMBL29031638 0.79 LMNA (0.36) POLBLMNAMAPTHTTL3MBTL1
Bromide SCHEMBL1930790 0.78 POLB (0.55) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL21494571 0.76 POLB (0.50) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL21494517 0.76 MEN1 (0.51) POLBLMNAMAPTHTTL3MBTL1
SCHEMBL17608730 0.74 RAB9A (0.61) POLBLMNAMAPTHTTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989336-B Metal complexes comprising amidine and indole fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2023-07-07 CN disclosed